SCHEMBL2078780

SCHEMBL2078780

O=C1Nc2cc(F)ccc2C1c1ncnc2nn(C3CCCC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
CHEK1 O14757 1/20 0.34
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR7 P34969 1/20 0.32
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM5A P29375 1/20 0.30
AADAT Q8N5Z0 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
ALDH1A2 O94788 1/20 0.30
ALDH1A3 P47895 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2075686 0.99 ABL1 (0.39) ABL1BCRCHEK1ALDH1A1KDM4E
SCHEMBL2077500 0.92 ABL1 (0.38) ABL1BCRALDH1A1KDM4ENPC1
SCHEMBL2075663 0.91 ABL1 (0.39) ABL1BCRALDH1A1KDM4ENPC1
SCHEMBL3767471 0.88 ABL1 (0.36) ABL1BCRCHEK1ALDH1A1KDM4E
SCHEMBL2076232 0.87 ABL1 (0.37) ABL1BCRCHEK1ALDH1A1KDM4E
SCHEMBL2079417 0.86 ABL1 (0.38) ABL1BCRCHEK1ALDH1A1KDM4E
SCHEMBL2076995 0.86 CHEK1 (0.48) ABL1BCRCHEK1ALDH1A1KDM4E
SCHEMBL13007123 0.86 ABL1 (0.34) ABL1BCRCHEK1
SCHEMBL3769842 0.82 ABL1 (0.36) ABL1BCRALDH1A1LMNAAADAT
SCHEMBL3771477 0.82 PDE9A (0.36) ABL1BCRAADAT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US claimed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
EP-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 ABL1 2806/4885BCR 3149/4885CHEK1 1661/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 ABL1 2258/4885BCR 3103/4885CHEK1 2277/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.